2 ! Note: the context of this file is case sensitive.
4 subroutine maxlik_init(nvarr,xrange,comm) ! in zscorez.F
5 integer intent(out) :: nvarr
6 double precision dimension(1000,2),intent(out) :: xrange
7 integer intent(in) :: comm
17 integer dimension(2049,4) :: indstart
18 integer dimension(2049,4) :: indend
19 integer dimension(2049,4) :: idispl
20 integer dimension(2049,4) :: scount
21 integer dimension(2049) :: indstart_map
22 integer dimension(2049) :: indend_map
23 integer dimension(2049) :: idispl_map
24 integer dimension(2049) :: scount_map
25 integer dimension(200000,4) :: i2ii
26 double precision dimension(1000) :: x_up
27 double precision dimension(1000) :: x_low
28 character*256 :: thetname
29 character*256 :: rotname
30 character*256 :: torname
31 character*256 :: tordname
32 character*256 :: bondname
33 character*256 :: fouriername
34 character*256 :: elename
35 character*256 :: sidename
36 character*256 :: scpname
37 character*256 :: sccorname
38 character*256 :: patname
41 character*256 :: outname
42 character*256 :: intname
43 character*256 :: pdbname
44 character*256 :: mol2name
45 character*256 :: statname
46 character*256 :: intinname
47 character*256 :: entname
48 character*256 :: restartname
49 character*256 :: prefix
51 character*256 :: scratchdir
52 character*256 :: sidepname
53 character*256 :: liptranname
54 character dimension(10,4,256),intent(c) :: pdbfile
55 integer :: number_of_variables
56 character*256 :: csa_rbank
57 character*256 :: csa_seed
58 character*256 :: csa_history
59 character*256 :: csa_bank
60 character*256 :: csa_bank1
61 character*256 :: csa_alpha
62 character*256 :: csa_alpha1
63 character*256 :: csa_bankt
64 character*256 :: csa_int
65 character*256 :: csa_bank_reminimized
66 character*256 :: csa_native_int
67 character*256 :: csa_in
70 integer :: icsa_history
74 integer :: icsa_alpha1
77 integer :: icsa_bank_reminimized
78 integer :: icsa_native_int
102 integer :: iliptranpar
103 common /mpi_data/ nprocs,master,master1,me,comm1,me1,nprocs1,all_comm,wham_comm,indstart,indend,idispl,scount,indstart_map,indend_map,idispl_map,scount_map,i2ii
104 common /xbound/ x_up,x_low
105 common /parfiles/ thetname,rotname,torname,tordname,bondname,fouriername,elename,sidename,scpname,sccorname,patname
106 common /optim/ nparmset,myparm
107 common /fnames/ outname,intname,pdbname,mol2name,statname,intinname,entname,restartname,prefix,pot,scratchdir,sidepname,liptranname,pdbfile
108 common /patch/ number_of_variables
109 common /csafiles/ csa_rbank,csa_seed,csa_history,csa_bank,csa_bank1,csa_alpha,csa_alpha1,csa_bankt,csa_int,csa_bank_reminimized,csa_native_int,csa_in
110 common /csaunits/ icsa_rbank,icsa_seed,icsa_history,icsa_bank,icsa_bank1,icsa_alpha,icsa_alpha1,icsa_bankt,icsa_int,icsa_bank_reminimized,icsa_native_int,icsa_in
111 common /iounits/ inp,iout,igeom,intin,ipdb,imol2,ipdbin,ithep,irotam,itorp,itordp,ifourier,ielep,isidep,iscpp,isccor,icbase,istat,ientin,ientout,isidep1,ibond,iliptranpar
112 end subroutine maxlik_init
113 subroutine maxlik_optim(x,fmin) ! in zscorez.F
114 double precision dimension(1000),intent(inout) :: x
115 double precision intent(out) :: fmin
125 integer dimension(2049,4) :: indstart
126 integer dimension(2049,4) :: indend
127 integer dimension(2049,4) :: idispl
128 integer dimension(2049,4) :: scount
129 integer dimension(2049) :: indstart_map
130 integer dimension(2049) :: indend_map
131 integer dimension(2049) :: idispl_map
132 integer dimension(2049) :: scount_map
133 integer dimension(200000,4) :: i2ii
134 character*256 :: thetname
135 character*256 :: rotname
136 character*256 :: torname
137 character*256 :: tordname
138 character*256 :: bondname
139 character*256 :: fouriername
140 character*256 :: elename
141 character*256 :: sidename
142 character*256 :: scpname
143 character*256 :: sccorname
144 character*256 :: patname
147 character*256 :: outname
148 character*256 :: intname
149 character*256 :: pdbname
150 character*256 :: mol2name
151 character*256 :: statname
152 character*256 :: intinname
153 character*256 :: entname
154 character*256 :: restartname
155 character*256 :: prefix
157 character*256 :: scratchdir
158 character*256 :: sidepname
159 character*256 :: liptranname
160 character dimension(10,4,256),intent(c) :: pdbfile
161 integer :: number_of_variables
162 character*256 :: csa_rbank
163 character*256 :: csa_seed
164 character*256 :: csa_history
165 character*256 :: csa_bank
166 character*256 :: csa_bank1
167 character*256 :: csa_alpha
168 character*256 :: csa_alpha1
169 character*256 :: csa_bankt
170 character*256 :: csa_int
171 character*256 :: csa_bank_reminimized
172 character*256 :: csa_native_int
173 character*256 :: csa_in
174 integer :: icsa_rbank
176 integer :: icsa_history
178 integer :: icsa_bank1
179 integer :: icsa_alpha
180 integer :: icsa_alpha1
181 integer :: icsa_bankt
183 integer :: icsa_bank_reminimized
184 integer :: icsa_native_int
208 integer :: iliptranpar
209 common /mpi_data/ nprocs,master,master1,me,comm1,me1,nprocs1,all_comm,wham_comm,indstart,indend,idispl,scount,indstart_map,indend_map,idispl_map,scount_map,i2ii
210 common /parfiles/ thetname,rotname,torname,tordname,bondname,fouriername,elename,sidename,scpname,sccorname,patname
211 common /optim/ nparmset,myparm
212 common /fnames/ outname,intname,pdbname,mol2name,statname,intinname,entname,restartname,prefix,pot,scratchdir,sidepname,liptranname,pdbfile
213 common /patch/ number_of_variables
214 common /csafiles/ csa_rbank,csa_seed,csa_history,csa_bank,csa_bank1,csa_alpha,csa_alpha1,csa_bankt,csa_int,csa_bank_reminimized,csa_native_int,csa_in
215 common /csaunits/ icsa_rbank,icsa_seed,icsa_history,icsa_bank,icsa_bank1,icsa_alpha,icsa_alpha1,icsa_bankt,icsa_int,icsa_bank_reminimized,icsa_native_int,icsa_in
216 common /iounits/ inp,iout,igeom,intin,ipdb,imol2,ipdbin,ithep,irotam,itorp,itordp,ifourier,ielep,isidep,iscpp,isccor,icbase,istat,ientin,ientout,isidep1,ibond,iliptranpar
217 end subroutine maxlik_optim
219 ! This file was auto-generated with f2py (version:2).
220 ! See http://cens.ioc.ee/projects/f2py2e/